==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 02-DEC-09 3KWY . COMPND 2 MOLECULE: RETINOIC ACID RECEPTOR RXR-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.LE MAIRE,W.BOURGUET . 220 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 6 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 3 1 1 0 1 1 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 229 A D 0 0 143 0, 0.0 150,-0.1 0, 0.0 149,-0.0 0.000 360.0 360.0 360.0 136.1 -19.8 3.3 13.2 2 230 A M - 0 0 3 148,-0.2 2,-0.4 41,-0.0 152,-0.1 -0.692 360.0-169.2-136.2 79.3 -19.0 1.4 16.4 3 231 A P >> - 0 0 33 0, 0.0 4,-1.3 0, 0.0 3,-1.1 -0.569 20.2-145.1 -79.5 127.5 -22.0 0.9 18.7 4 232 A V H 3> S+ 0 0 15 -2,-0.4 4,-2.5 1,-0.3 5,-0.2 0.734 97.6 68.3 -59.9 -23.6 -21.2 -0.4 22.2 5 233 A E H 3> S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.894 100.5 46.2 -61.4 -41.8 -24.5 -2.5 22.0 6 234 A R H <> S+ 0 0 111 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.888 111.3 52.3 -67.8 -40.9 -23.0 -4.7 19.3 7 235 A I H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.897 109.9 48.8 -61.5 -43.6 -19.7 -5.1 21.4 8 236 A L H X S+ 0 0 48 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.938 108.9 53.6 -57.9 -50.2 -21.8 -6.1 24.4 9 237 A E H X S+ 0 0 112 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.878 105.1 55.0 -51.3 -43.3 -23.6 -8.6 22.2 10 238 A A H X S+ 0 0 1 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.922 109.8 45.8 -57.7 -45.8 -20.2 -10.1 21.2 11 239 A E H >X S+ 0 0 16 -4,-1.7 4,-1.0 1,-0.2 3,-0.8 0.920 113.3 48.5 -63.8 -46.4 -19.3 -10.6 24.8 12 240 A L H 3< S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.800 105.0 60.3 -66.1 -29.8 -22.6 -12.2 25.8 13 241 A A H 3< S+ 0 0 51 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.756 108.5 43.2 -68.4 -26.4 -22.5 -14.5 22.7 14 242 A V H << S+ 0 0 30 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.617 79.4 127.6-102.3 -13.3 -19.3 -16.2 23.9 15 243 A E < 0 0 101 -4,-1.0 -3,-0.0 1,-0.1 67,-0.0 -0.097 360.0 360.0 -41.5 135.2 -20.1 -16.6 27.6 16 244 A P 0 0 113 0, 0.0 -1,-0.1 0, 0.0 66,-0.0 0.749 360.0 360.0 -97.0 360.0 -19.5 -20.2 28.8 17 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 18 263 A D >> 0 0 105 0, 0.0 4,-1.5 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 148.9 -1.4 -29.7 37.8 19 264 A P H 3> + 0 0 14 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.723 360.0 57.5 -60.0 -31.2 -2.6 -26.1 37.3 20 265 A V H 3> S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.883 106.3 49.9 -65.8 -40.0 -0.4 -25.2 34.3 21 266 A T H <> S+ 0 0 48 -3,-1.0 4,-2.4 2,-0.2 5,-0.2 0.964 113.0 47.6 -58.6 -48.2 -1.8 -28.1 32.3 22 267 A N H X S+ 0 0 51 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.880 110.2 51.0 -62.4 -44.1 -5.4 -26.9 33.2 23 268 A I H X S+ 0 0 60 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.893 112.1 48.9 -57.5 -42.9 -4.6 -23.3 32.3 24 269 A C H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.901 109.5 49.0 -67.4 -46.3 -3.3 -24.5 28.9 25 270 A Q H X S+ 0 0 104 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.935 113.3 48.5 -58.2 -48.4 -6.2 -26.8 28.0 26 271 A A H X S+ 0 0 5 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.891 110.2 52.0 -58.1 -42.5 -8.6 -23.9 28.8 27 272 A A H X S+ 0 0 19 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.938 108.2 50.3 -63.7 -46.2 -6.5 -21.5 26.7 28 273 A D H >X S+ 0 0 18 -4,-2.5 4,-0.8 1,-0.2 3,-0.5 0.941 112.2 48.0 -53.2 -51.0 -6.6 -23.8 23.6 29 274 A K H 3X S+ 0 0 105 -4,-2.1 4,-1.1 1,-0.2 3,-0.4 0.845 109.9 53.1 -57.8 -38.0 -10.4 -24.1 23.9 30 275 A Q H 3X S+ 0 0 25 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.738 94.7 69.2 -77.1 -22.0 -10.8 -20.4 24.3 31 276 A L H < S+ 0 0 1 -4,-2.6 3,-1.4 1,-0.2 4,-0.5 0.935 107.9 53.6 -59.6 -51.5 -15.9 -13.2 19.3 38 283 A A H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.3 6,-0.2 0.824 103.3 57.5 -54.4 -36.0 -13.7 -11.3 16.8 39 284 A K H 3< S+ 0 0 45 -4,-1.6 6,-0.3 1,-0.2 -1,-0.3 0.693 103.3 54.3 -71.7 -19.2 -16.1 -11.9 13.9 40 285 A R T << S+ 0 0 128 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.510 83.8 99.0 -90.1 -9.5 -18.9 -10.2 15.9 41 286 A I S X S- 0 0 1 -3,-0.9 3,-1.9 -4,-0.5 4,-0.4 -0.729 91.8 -98.8 -81.7 124.0 -16.9 -7.0 16.5 42 287 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.067 98.3 2.3 -52.3 136.6 -18.1 -4.5 13.9 43 288 A H T 3> S+ 0 0 56 -4,-0.1 4,-0.5 1,-0.1 3,-0.5 0.243 97.4 107.3 75.2 -7.5 -15.9 -4.1 10.8 44 289 A F T X4 S+ 0 0 0 -3,-1.9 3,-1.2 1,-0.2 -5,-0.1 0.923 77.7 50.4 -67.6 -45.9 -13.4 -6.8 11.7 45 290 A S T 34 S+ 0 0 65 -4,-0.4 -1,-0.2 -6,-0.3 4,-0.1 0.613 103.2 62.2 -66.3 -14.5 -14.6 -9.3 9.1 46 291 A E T 34 S+ 0 0 142 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.631 83.9 97.2 -85.5 -17.4 -14.4 -6.6 6.4 47 292 A L S << S- 0 0 4 -3,-1.2 5,-0.1 -4,-0.5 -4,-0.0 -0.388 96.0 -83.7 -63.0 149.7 -10.7 -6.3 6.9 48 293 A P >> - 0 0 56 0, 0.0 4,-1.9 0, 0.0 3,-1.3 -0.307 40.5-117.2 -55.8 139.0 -8.4 -8.2 4.5 49 294 A L H 3> S+ 0 0 66 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.816 114.4 56.2 -47.8 -39.5 -8.0 -11.9 5.6 50 295 A D H 3> S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.852 108.0 47.9 -65.0 -35.7 -4.2 -11.4 6.1 51 296 A D H <> S+ 0 0 3 -3,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.890 106.8 55.0 -71.6 -41.6 -4.8 -8.4 8.5 52 297 A Q H X S+ 0 0 13 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.904 110.0 49.3 -55.0 -44.8 -7.4 -10.3 10.5 53 298 A V H X S+ 0 0 7 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.933 110.5 49.1 -58.6 -50.1 -4.7 -13.0 11.0 54 299 A I H X S+ 0 0 40 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.913 111.3 49.4 -57.3 -47.4 -2.1 -10.5 12.0 55 300 A L H X S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.858 112.9 45.8 -63.8 -39.1 -4.4 -8.8 14.6 56 301 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.892 112.3 50.0 -74.5 -40.2 -5.4 -12.1 16.2 57 302 A R H < S+ 0 0 41 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.800 115.8 44.5 -64.1 -31.9 -1.8 -13.4 16.4 58 303 A A H < S+ 0 0 46 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.822 124.3 31.4 -79.1 -33.2 -0.7 -10.1 18.0 59 304 A G H >X S+ 0 0 5 -4,-1.6 4,-2.0 -5,-0.2 3,-0.5 0.613 85.4 99.4-104.9 -12.3 -3.5 -9.8 20.5 60 305 A W H 3X S+ 0 0 10 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.797 83.3 48.8 -52.4 -44.7 -4.7 -13.3 21.5 61 306 A N H 3> S+ 0 0 14 1,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.891 114.4 44.6 -69.2 -38.8 -2.9 -13.6 24.9 62 307 A E H <> S+ 0 0 14 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.845 111.8 54.0 -68.3 -37.5 -4.0 -10.2 26.2 63 308 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.888 111.3 45.5 -63.4 -41.2 -7.6 -10.8 25.0 64 309 A L H X S+ 0 0 20 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.875 111.6 51.3 -68.9 -43.2 -7.7 -14.1 26.9 65 310 A I H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.913 107.3 53.7 -60.2 -44.4 -6.2 -12.6 30.1 66 311 A A H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.918 110.7 48.1 -56.5 -43.1 -8.8 -9.8 30.0 67 312 A S H X S+ 0 0 19 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.903 112.3 44.2 -66.2 -48.6 -11.6 -12.4 29.9 68 313 A F H X S+ 0 0 47 -4,-2.2 4,-0.8 2,-0.2 12,-0.5 0.847 112.8 53.7 -72.2 -27.2 -10.5 -14.7 32.6 69 314 A S H >< S+ 0 0 0 -4,-2.1 3,-0.5 -5,-0.2 -2,-0.2 0.934 112.5 42.5 -64.8 -49.7 -9.7 -11.8 35.0 70 315 A H H >< S+ 0 0 18 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.863 110.5 56.6 -67.9 -36.2 -13.1 -10.2 34.6 71 316 A R H 3< S+ 0 0 64 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.771 106.4 54.2 -57.7 -27.8 -14.8 -13.7 34.9 72 317 A S T X< S+ 0 0 0 -4,-0.8 3,-1.9 -3,-0.5 6,-0.3 0.275 71.8 108.0 -96.3 8.1 -13.0 -14.0 38.3 73 318 A I T < S+ 0 0 45 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.740 80.6 47.2 -66.6 -26.3 -14.1 -10.8 40.0 74 319 A A T 3 S+ 0 0 104 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.3 0.302 96.2 100.6 -92.0 10.5 -16.5 -12.5 42.5 75 320 A V S < S- 0 0 26 -3,-1.9 2,-0.6 3,-0.2 3,-0.4 -0.807 72.5-131.8-100.2 131.2 -13.8 -15.0 43.3 76 321 A K S S- 0 0 173 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.752 79.7 -26.5 -85.0 120.5 -11.6 -14.7 46.4 77 322 A D S S+ 0 0 69 -2,-0.6 12,-2.9 1,-0.2 2,-0.3 0.778 121.9 77.6 51.8 37.7 -7.9 -15.1 45.7 78 323 A G E S-A 88 0A 3 -3,-0.4 2,-0.4 10,-0.3 10,-0.3 -0.944 71.5-109.2-160.2 179.2 -8.4 -17.2 42.6 79 324 A I E -A 87 0A 7 8,-2.7 8,-2.7 -2,-0.3 2,-0.7 -0.979 16.2-140.1-128.5 132.4 -9.3 -17.5 39.0 80 325 A L E -A 86 0A 44 -12,-0.5 6,-0.2 -2,-0.4 2,-0.2 -0.827 23.2-153.7 -89.6 111.3 -12.4 -19.0 37.2 81 326 A L > - 0 0 9 4,-2.6 3,-2.1 -2,-0.7 -58,-0.1 -0.485 25.7-116.1 -80.6 154.4 -11.4 -20.9 34.1 82 327 A A T 3 S+ 0 0 11 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.682 113.0 68.4 -64.7 -17.8 -13.7 -21.4 31.1 83 328 A T T 3 S- 0 0 69 2,-0.2 -1,-0.3 -61,-0.1 3,-0.1 0.487 120.7-105.5 -77.2 -5.4 -13.7 -25.1 31.8 84 329 A G S < S+ 0 0 53 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.265 81.6 127.3 95.7 -9.7 -15.6 -24.6 35.1 85 330 A L - 0 0 77 -63,-0.1 -4,-2.6 -5,-0.0 2,-0.5 -0.662 50.5-145.2 -86.0 130.4 -12.5 -25.1 37.3 86 331 A H E -A 80 0A 114 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.2 -0.842 8.9-159.8 -90.3 129.3 -11.3 -22.6 39.9 87 332 A V E -A 79 0A 6 -8,-2.7 -8,-2.7 -2,-0.5 2,-0.2 -0.953 13.3-153.6-108.7 118.4 -7.6 -22.2 40.4 88 333 A H E >> -A 78 0A 72 -2,-0.5 4,-1.8 -10,-0.3 3,-0.6 -0.572 25.7-107.4 -91.3 153.3 -6.7 -20.7 43.8 89 334 A R H 3> S+ 0 0 85 -12,-2.9 4,-3.1 1,-0.2 5,-0.2 0.841 117.1 51.9 -29.3 -61.9 -3.5 -18.7 44.9 90 335 A N H 3> S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.851 107.6 52.7 -60.7 -37.5 -2.0 -21.4 47.0 91 336 A S H <> S+ 0 0 52 -3,-0.6 4,-0.5 2,-0.2 -1,-0.2 0.902 111.9 45.0 -64.0 -42.8 -2.3 -23.9 44.1 92 337 A A H ><>S+ 0 0 1 -4,-1.8 5,-1.9 1,-0.2 3,-0.9 0.905 111.3 54.5 -68.6 -42.4 -0.5 -21.5 41.7 93 338 A H H ><5S+ 0 0 73 -4,-3.1 3,-1.4 4,-0.3 5,-0.4 0.922 107.9 48.6 -54.2 -46.4 2.1 -20.8 44.3 94 339 A S H 3<5S+ 0 0 107 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.536 105.5 57.9 -80.1 -2.8 2.9 -24.5 44.8 95 340 A A T <<5S- 0 0 40 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.353 120.1-107.5 -96.2 1.7 3.2 -25.1 41.0 96 341 A G T < 5S+ 0 0 67 -3,-1.4 -3,-0.2 -4,-0.3 3,-0.2 0.525 100.4 96.6 84.0 7.8 6.0 -22.5 40.9 97 342 A V >< + 0 0 24 -5,-1.9 4,-1.7 -6,-0.2 -4,-0.3 0.019 40.4 116.6-113.4 25.8 3.8 -19.8 39.1 98 343 A G H > + 0 0 4 -6,-0.5 4,-2.5 -5,-0.4 -5,-0.2 0.852 69.7 58.6 -63.6 -37.6 2.7 -17.8 42.2 99 344 A A H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.964 110.5 39.1 -58.1 -59.4 4.4 -14.5 41.1 100 345 A I H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.873 115.3 54.6 -59.1 -39.8 2.5 -14.1 37.7 101 346 A F H X S+ 0 0 13 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.919 107.1 50.2 -58.9 -47.0 -0.8 -15.3 39.3 102 347 A D H X S+ 0 0 38 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.845 106.2 56.0 -61.9 -37.9 -0.6 -12.7 42.0 103 348 A R H X>S+ 0 0 65 -4,-1.7 4,-2.9 2,-0.2 5,-0.6 0.950 108.1 47.9 -61.2 -50.3 0.0 -9.9 39.4 104 349 A V H X>S+ 0 0 5 -4,-2.1 5,-2.4 1,-0.2 4,-1.7 0.942 114.5 47.9 -52.7 -48.3 -3.2 -10.9 37.6 105 350 A L H <>S+ 0 0 16 -4,-2.2 5,-3.0 3,-0.2 -2,-0.2 0.906 121.6 31.7 -60.7 -46.0 -5.0 -10.9 41.0 106 351 A T H <5S+ 0 0 81 -4,-2.9 -2,-0.2 3,-0.2 -3,-0.2 0.856 126.3 38.6 -86.8 -36.5 -3.8 -7.6 42.3 107 352 A E H <5S+ 0 0 50 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.740 134.7 10.5 -87.2 -24.2 -3.3 -5.6 39.0 108 353 A L T X S+ 0 0 85 2,-0.2 4,-1.8 -6,-0.2 -1,-0.2 0.871 110.4 50.7 -77.5 -36.2 -9.1 -3.5 40.3 112 357 A M H X>S+ 0 0 8 -4,-2.8 5,-2.0 2,-0.2 4,-0.6 0.868 114.7 46.5 -59.0 -39.5 -11.9 -4.7 38.1 113 358 A R H ><5S+ 0 0 91 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.976 109.1 52.2 -68.8 -53.5 -13.8 -5.7 41.3 114 359 A D H 3<5S+ 0 0 129 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.844 119.2 34.9 -54.0 -41.9 -13.2 -2.4 43.1 115 360 A M H 3<5S- 0 0 17 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.515 105.3-126.0 -86.9 -7.4 -14.5 -0.2 40.2 116 361 A Q T <<5 - 0 0 153 -3,-1.2 -3,-0.2 -4,-0.6 2,-0.1 0.960 28.7-157.2 52.5 55.2 -17.2 -2.8 39.2 117 362 A M < - 0 0 5 -5,-2.0 2,-0.2 -6,-0.1 -1,-0.2 -0.445 13.2-144.1 -55.7 128.9 -16.0 -2.8 35.5 118 363 A D > - 0 0 30 -2,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.492 21.5-100.1-100.4 173.1 -19.0 -4.0 33.5 119 364 A K H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 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0.864 94.4 16.0 -71.3 -35.6 -1.5 -3.8 4.8 140 385 A N >> + 0 0 73 1,-0.1 4,-0.9 2,-0.0 3,-0.5 -0.747 62.8 174.4-139.0 94.2 -3.3 -0.6 6.0 141 386 A P H 3> S+ 0 0 60 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.756 81.2 63.1 -62.6 -28.2 -2.4 0.5 9.6 142 387 A A H 3> S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.828 99.2 53.7 -70.4 -32.2 -4.5 3.7 9.2 143 388 A E H <> S+ 0 0 79 -3,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.846 111.4 46.0 -66.0 -37.5 -7.7 1.6 8.7 144 389 A V H X S+ 0 0 0 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.884 110.6 52.5 -74.5 -39.5 -7.0 -0.2 12.0 145 390 A E H X S+ 0 0 97 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.939 107.4 52.5 -60.3 -48.0 -6.2 3.0 13.9 146 391 A A H X S+ 0 0 37 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.838 109.3 49.3 -56.4 -37.8 -9.5 4.5 12.7 147 392 A L H X S+ 0 0 15 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.902 110.5 50.7 -70.4 -40.6 -11.4 1.5 14.0 148 393 A R H X S+ 0 0 54 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.939 108.4 52.4 -53.8 -52.5 -9.5 1.8 17.4 149 394 A E H X S+ 0 0 85 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.894 108.2 51.6 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-43.5 7.7 -16.3 28.4 190 435 A H H X S+ 0 0 75 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.899 109.5 52.4 -64.6 -44.0 6.2 -19.0 30.7 191 436 A L H X S+ 0 0 25 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.855 107.5 51.4 -63.1 -37.4 4.3 -20.7 27.8 192 437 A F H X S+ 0 0 94 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.852 111.2 48.9 -67.2 -35.0 7.6 -20.9 25.7 193 438 A F H X S+ 0 0 130 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.876 109.7 50.6 -67.9 -41.3 9.3 -22.5 28.8 194 439 A F H < S+ 0 0 38 -4,-2.3 5,-0.3 1,-0.2 -2,-0.2 0.875 109.6 51.6 -64.8 -36.9 6.4 -25.0 29.2 195 440 A K H < S+ 0 0 92 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.850 112.9 46.9 -62.1 -37.1 6.7 -25.8 25.5 196 441 A L H < S+ 0 0 136 -4,-1.3 2,-1.5 1,-0.3 -2,-0.2 0.924 110.4 48.9 -74.2 -49.2 10.4 -26.4 26.2 197 442 A I S < S- 0 0 90 -4,-3.0 2,-2.8 1,-0.1 -1,-0.3 -0.603 87.5-167.0 -90.1 73.4 10.1 -28.6 29.3 198 443 A G 0 0 71 -2,-1.5 -3,-0.1 -3,-0.3 -1,-0.1 -0.274 360.0 360.0 -74.9 60.0 7.5 -30.7 27.5 199 444 A D 0 0 162 -2,-2.8 -1,-0.2 -5,-0.3 -5,-0.0 0.787 360.0 360.0 -99.3 360.0 6.0 -32.7 30.4 200 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 201 447 A I 0 0 65 0, 0.0 -176,-0.1 0, 0.0 -180,-0.0 0.000 360.0 360.0 360.0 120.6 0.2 -28.2 24.6 202 448 A D > - 0 0 80 -178,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.217 360.0 -98.1 -74.8 165.7 -2.7 -28.6 22.2 203 449 A T H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 13,-0.1 0.709 114.3 46.1 -65.8 -35.4 -2.6 -27.6 18.5 204 450 A F H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 116.0 46.0 -74.5 -46.8 -4.2 -24.1 18.4 205 451 A L H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.919 113.1 52.9 -54.8 -45.2 -2.3 -22.8 21.3 206 452 A M H < S+ 0 0 65 -4,-2.4 4,-0.3 1,-0.2 3,-0.2 0.898 106.8 50.8 -56.5 -46.6 0.8 -24.4 19.7 207 453 A E H >< S+ 0 0 5 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.868 106.4 55.1 -59.7 -39.5 0.1 -22.6 16.4 208 454 A M H 3< S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.835 108.1 49.8 -64.4 -31.9 -0.2 -19.3 18.3 209 455 A L T 3< S+ 0 0 5 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.424 91.5 106.1 -85.4 -1.2 3.4 -20.0 19.7 210 456 A E S < S- 0 0 92 -3,-1.1 -3,-0.0 -4,-0.3 0, 0.0 -0.369 82.9 -95.8 -72.4 158.2 4.8 -20.7 16.2 211 457 A A 0 0 87 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.470 360.0 360.0 -70.4 148.0 7.1 -18.3 14.4 212 458 A P 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.984 360.0 360.0 -69.1 360.0 5.3 -16.0 11.9 213 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 214 687 B H > 0 0 68 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 67.6 -1.1 -20.7 10.4 215 688 B K H > + 0 0 123 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.837 360.0 52.9 -62.2 -45.1 -3.7 -23.2 9.1 216 689 B I H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.943 112.8 43.8 -59.3 -51.1 -6.1 -23.5 12.0 217 690 B L H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 115.8 49.7 -61.2 -43.2 -6.7 -19.7 12.4 218 691 B H H X S+ 0 0 57 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.942 110.0 48.4 -58.2 -54.6 -7.0 -19.3 8.6 219 692 B R H X S+ 0 0 166 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.841 113.8 48.3 -57.1 -39.2 -9.6 -22.1 8.2 220 693 B L H < S+ 0 0 47 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.807 111.2 48.9 -73.3 -32.3 -11.6 -20.7 11.1 221 694 B L H < S+ 0 0 9 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.834 109.9 51.8 -76.3 -32.4 -11.6 -17.1 9.7 222 695 B Q H < 0 0 149 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.1 0.931 360.0 360.0 -66.0 -50.6 -12.6 -18.3 6.2 223 696 B D < 0 0 163 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.396 360.0 360.0 152.6 360.0 -15.6 -20.3 7.6